SCHEMBL6660969

SCHEMBL6660969

Cc1[nH]cnc1CCCOCc1cccc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.43
HTR6 P50406 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
MAOB P27338 6/20 0.41
SCN8A Q9UQD0 1/20 0.41
HRH4 Q9H3N8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
SLC2A1 P11166 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6664457 0.88 HRH4 (0.40) IDO1HRH4HRH3
SCHEMBL6667210 0.86 HRH3 (0.41) IDO1MAOBHRH4HRH3
SCHEMBL6692241 0.82 HRH3 (0.43) IDO1HRH4HRH3
SCHEMBL6660593 0.78 HRH4 (0.42) HRH4HRH3
SCHEMBL6666981 0.77 HRH3 (0.40) IDO1SCN8AHRH4HRH3
SCHEMBL6666000 0.76 HRH3 (0.45) HRH4HRH3
SCHEMBL6658270 0.74 HRH3 (0.43) IDO1HRH4HRH3
SCHEMBL6681815 0.74 HRH3 (0.60) HRH4HRH3
SCHEMBL6660501 0.74 TDP1 (0.39) IDO1SCN8AHRH4HRH3
SCHEMBL7561874 0.71 IDO1 (0.55) IDO1MAOBFFAR4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1446385-A1 PREPARATION AND USE OF SUBSTITUTED IMIDAZOLES NOVO NORDISK A/S (DK) 2004-08-18 EP claimed
US-20040127718-A1 Substituted imidazoles NOVO NORDISK A/S (DK) 2004-07-01 US claimed
US-20030181479-A1 Substituted imidazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2003-09-25 US claimed
WO-2003040106-A1 PREPARATION AND USE OF SUBSTITUTED IMIDAZOLES NOVO NORDISK A/S (DK) 2003-05-15 WO claimed
EP-1446385-A1 PREPARATION AND USE OF SUBSTITUTED IMIDAZOLES NOVO NORDISK A/S (DK) 2004-08-18 EP disclosed
US-20040127718-A1 Substituted imidazoles NOVO NORDISK A/S (DK) 2004-07-01 US disclosed
US-20030181479-A1 Substituted imidazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2003-09-25 US disclosed
WO-2003040106-A1 PREPARATION AND USE OF SUBSTITUTED IMIDAZOLES NOVO NORDISK A/S (DK) 2003-05-15 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030181479-A1 Substituted imidazoles HRH3, HRH4, HRH2 IDO1 109/4885HTR6 44/4885DRD4 665/4885
US-20040127718-A1 Substituted imidazoles HRH3, HRH4, HRH2 IDO1 109/4885HTR6 44/4885DRD4 665/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.